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Search term: DATA_SOURCE in ('DISMA, Department of Agri-Food Molecular Sciences, University of Milano, Italy')
ChemSpider 2D Image | 1R-trans-?4-tetrahydrocannabinol | C21H30O2

1R-trans-?4-tetrahydrocannabinol

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID26608727

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9R,10aR)-6,6,9-Trimethyl-3-pentyl-8,9,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(9R,10aR)-6,6,9-Trimethyl-3-pentyl-8,9,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(9R,10aR)-6,6,9-Triméthyl-3-pentyl-8,9,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
1R-trans-?4-tetrahydrocannabinol
59042-44-3 [RN]
6H-Dibenzo[b,d]pyran-1-ol, 8,9,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (9R,10aR)- [ACD/Index Name]
(+)-Δ4-Tetrahydrocannabinol
(9,10a)-syn-Δ6a,7-THC
(9R,10aR)-6,6,9-trimethyl-3-pentyl-8,9,10,10a-tetrahydrobenzo[c]chromen-1-ol
58588-05-9 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0M4C88EI3H [DBID]
UNII:0M4C88EI3H [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 397.8±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 154.5±21.9 °C
Index of Refraction: 1.557
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.65
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 167575.58
ACD/KOC (pH 5.5): 191012.23
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 167011.50
ACD/KOC (pH 7.4): 190369.25
Polar Surface Area: 29 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 295.0±5.0 cm3

Click to predict properties on the Chemicalize site


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